5-(cyclopropylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride

C17H26ClN3O3S — CID 120576695

IUPAC5-(cyclopropylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-11-5-8-14(24(22,23)20-13-6-7-13)10-15(11)17(21)19-16-4-3-9-18-12(16)2;/h5,8,10,12-13,16,18,20H,3-4,6-7,9H2,1-2H3,(H,19,21);1H
InChIKeySHSFKPXENOJCTO-UHFFFAOYSA-N
MW387.93 g/mol
LogP1.73
Rot. Bonds5

About 5-(cyclopropylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride

5-(cyclopropylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride (PubChem CID 120576695) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is 5-(cyclopropylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name5-(cyclopropylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
PubChem CID120576695
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC Name5-(cyclopropylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-11-5-8-14(24(22,23)20-13-6-7-13)10-15(11)17(21)19-16-4-3-9-18-12(16)2;/h5,8,10,12-13,16,18,20H,3-4,6-7,9H2,1-2H3,(H,19,21);1H
InChIKeySHSFKPXENOJCTO-UHFFFAOYSA-N
XLogP1.73
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylsulfamoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576685
5-(diethylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120577294
3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120574596
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride
CID 120577307
2-methyl-N-(2-methylpiperidin-3-yl)-5-methylsulfanylbenzamide;hydrochloride
CID 120574172
1-N-cyclopropyl-3-N-(2-methylpiperidin-3-yl)benzene-1,3-disulfonamide
CID 120726415
5-(cyclopropylsulfamoyl)-2-methyl-N-propan-2-ylbenzamide
CID 51233854
4-methyl-N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120726129
4-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726682
3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575414
N-[2-bromo-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 120726813

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The IUPAC name of 5-(cyclopropylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride (CID 120576695) is 5-(cyclopropylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride.
What is the SMILES notation for 5-(cyclopropylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The canonical SMILES for 5-(cyclopropylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC1CCCNC1C.Cl.
What is the InChIKey of 5-(cyclopropylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The InChIKey is SHSFKPXENOJCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S.ClH/c1-11-5-8-14(24(22,23)20-13-6-7-13)10-15(11)17(21)19-16-4-3-9-18-12(16)2;/h5,8,10,12-13,16,18,20H,3-4,6-7,9H2,1-2H3,(H,19,21);1H.
What are the key properties of 5-(cyclopropylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride has a molecular weight of 387.93 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 120576695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).